compute_displace_atom.h
No OneTemporary
Actions

Subscribers

None

File Metadata

	/* -- c++ -- ----------------------------------------------------------
	LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
	http://lammps.sandia.gov, Sandia National Laboratories
	Steve Plimpton, sjplimp@sandia.gov

	Copyright (2003) Sandia Corporation. Under the terms of Contract
	DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
	certain rights in this software. This software is distributed under
	the GNU General Public License.

	See the README file in the top-level LAMMPS directory.
	------------------------------------------------------------------------- */

	#ifdef COMPUTE_CLASS

	ComputeStyle(displace/atom,ComputeDisplaceAtom)

	#else

	#ifndef LMP_COMPUTE_DISPLACE_ATOM_H
	#define LMP_COMPUTE_DISPLACE_ATOM_H

	#include "compute.h"

	namespace LAMMPS_NS {

	class ComputeDisplaceAtom : public Compute {
	public:
	ComputeDisplaceAtom(class LAMMPS , int, char *);
	~ComputeDisplaceAtom();
	void init();
	void compute_peratom();
	void set_arrays(int);
	double memory_usage();

	private:
	int nmax;
	double **displace;
	char *id_fix;
	class FixStore *fix;
	};

	}

	#endif
	#endif

	/* ERROR/WARNING messages:

	E: Illegal ... command

	Self-explanatory. Check the input script syntax and compare to the
	documentation for the command. You can use -echo screen as a
	command-line option when running LAMMPS to see the offending line.

	E: Could not find compute displace/atom fix ID

	Self-explanatory.

	*/